2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one

C15H26N2O — CID 144923589

IUPAC2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one
SMILESCCCCc1ncc(C(CCC)CCC)c(=O)[nH]1
InChIInChI=1S/C15H26N2O/c1-4-7-10-14-16-11-13(15(18)17-14)12(8-5-2)9-6-3/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyLDGUPZBOCMALIB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.80
Rot. Bonds8

About 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one

2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one (PubChem CID 144923589) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one
PubChem CID144923589
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one
SMILESCCCCc1ncc(C(CCC)CCC)c(=O)[nH]1
InChIInChI=1S/C15H26N2O/c1-4-7-10-14-16-11-13(15(18)17-14)12(8-5-2)9-6-3/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyLDGUPZBOCMALIB-UHFFFAOYSA-N
XLogP3.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one (CID 144923589) is 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one is CCCCc1ncc(C(CCC)CCC)c(=O)[nH]1.
What is the InChIKey of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one?
The InChIKey is LDGUPZBOCMALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-7-10-14-16-11-13(15(18)17-14)12(8-5-2)9-6-3/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one?
2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one has a molecular weight of 250.39 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 144923589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).